From 5c26f7b003185736b5442d779c18ef6914d40e89 Mon Sep 17 00:00:00 2001
From: Ray Speth <speth@mit.edu>
Date: Sat, 27 Sep 2014 00:09:16 +0000
Subject: [PATCH] [Test] Preliminary tests for constructing a phase without an
 input file

---
 test/thermo/phaseConstructors.cpp | 82 ++++++++++++++++++++++++++++++-
 1 file changed, 80 insertions(+), 2 deletions(-)

diff --git a/test/thermo/phaseConstructors.cpp b/test/thermo/phaseConstructors.cpp
index db8ae529f..5595a47b2 100644
--- a/test/thermo/phaseConstructors.cpp
+++ b/test/thermo/phaseConstructors.cpp
@@ -1,6 +1,9 @@
 #include "gtest/gtest.h"
 #include "cantera/thermo/FixedChemPotSSTP.h"
 #include "cantera/thermo/ThermoFactory.h"
+#include "cantera/thermo/SpeciesThermoFactory.h"
+#include "cantera/thermo/speciesThermoTypes.h"
+#include "cantera/thermo/IdealGasPhase.h"
 #include "cantera/base/ctml.h"
 #include <fstream>
 
@@ -90,8 +93,83 @@ TEST_F(ChemkinConversionTest, FailedConversion) {
     ASSERT_THROW(ctml::ck2cti("h2o2_missingThermo.inp"),
                  CanteraError);
 }
-
-
 #endif
 
+// 2-region NASA coefficients; Order is significantly different from the
+// standard NASA format.
+double h2o_coeffs[] = {
+    1000.0, -3.029372670E+04, -8.490322080E-01, 4.198640560E+00,
+    -2.036434100E-03, 6.520402110E-06, -5.487970620E-09, 1.771978170E-12,
+    -3.000429710E+04, 4.966770100E+00,  3.033992490E+00, 2.176918040E-03,
+    -1.640725180E-07, -9.704198700E-11, 1.682009920E-14};
+double h2o_comp[] = {2.0, 1.0, 0.0};
+
+double h2_coeffs[] = {
+    1000.0, -9.17935173E+02, 6.83010238E-01, 2.34433112E+00,
+    7.98052075E-03, -1.94781510E-05, 2.01572094E-08, -7.37611761E-12,
+    -9.50158922E+02, -3.20502331E+00, 3.33727920E+00, -4.94024731E-05,
+    4.99456778E-07, -1.79566394E-10, 2.00255376E-14};
+double h2_comp[] = {2.0, 0.0, 0.0};
+
+double o2_coeffs[] = {
+    1000.0, -1.063943560E+03, 3.657675730E+00, 3.782456360E+00,
+    -2.996734160E-03, 9.847302010E-06, -9.681295090E-09, 3.243728370E-12,
+    -1.088457720E+03, 5.453231290E+00, 3.282537840E+00, 1.483087540E-03,
+    -7.579666690E-07, 2.094705550E-10, -2.167177940E-14};
+double o2_comp[] = {0.0, 2.0, 0.0};
+
+double oh_coeffs[] = {
+    1000.0, 3.615080560E+03, -1.039254580E-01, 3.992015430E+00,
+    -2.401317520E-03, 4.617938410E-06, -3.881133330E-09, 1.364114700E-12,
+    3.858657000E+03, 4.476696100E+00, 3.092887670E+00, 5.484297160E-04,
+    1.265052280E-07, -8.794615560E-11, 1.174123760E-14};
+double oh_comp[] = {1.0, 1.0, 0.0};
+
+// 2-region Shomate coefficients
+double co2_coeffs[] = {
+    1200.0, 24.99735, 55.18696, -33.69137, 7.948387, -0.136638, -403.6075, 228.2431,
+    58.16639, 2.720074, -0.492289, 0.038844, -6.447293, -425.9186, 263.6125};
+double co2_comp[] = {0.0, 2.0, 1.0};
+
+class ConstructFromScratch : public testing::Test
+{
+public:
+    ConstructFromScratch() {
+        p.addElement("H");
+        p.addElement("O");
+        p.addElement("C");
+    }
+    IdealGasPhase p;
+};
+
+TEST_F(ConstructFromScratch, AddElements)
+{
+    ASSERT_EQ(3, p.nElements());
+    ASSERT_EQ("H", p.elementName(0));
+    ASSERT_EQ(1, p.elementIndex("O"));
+}
+
+TEST_F(ConstructFromScratch, AddSpeciesNasa)
+{
+    p.setSpeciesThermo(newSpeciesThermoMgr(NASA));
+    SpeciesThermo& sp = p.speciesThermo();
+
+    p.addUniqueSpecies("H2O", h2o_comp);
+    sp.install("H2O", 0, NASA, h2o_coeffs, 200.0, 3500.0, 101325.0);
+    p.addUniqueSpecies("H2", h2_comp);
+    sp.install("H2", 1, NASA, h2_coeffs, 200.0, 3500.0, 101325.0);
+
+    ASSERT_EQ(2, p.nSpecies());
+
+    p.addUniqueSpecies("O2", o2_comp);
+    sp.install("O2", 2, NASA, o2_coeffs, 200.0, 3500.0, 101325.0);
+    p.addUniqueSpecies("OH", oh_comp);
+    sp.install("OH", 3, NASA, oh_coeffs, 200.0, 3500.0, 101325.0);
+
+    ASSERT_EQ(4, p.nSpecies());
+    ASSERT_EQ("H2", p.speciesName(1));
+    ASSERT_EQ(2, p.nAtoms(2, 1)); // O in O2
+    ASSERT_EQ(2, p.nAtoms(0, 0)); // H in H2O
+}
+
 } // namespace Cantera